| 聚乙炔导电机理的量子化学研究 |
| |
| 引用本文： | 郑元庆,余守志.聚乙炔导电机理的量子化学研究[J].河南科学,1996,14(3):256-259. |
| |
| 作者姓名： | 郑元庆 余守志 |
| |
| 作者单位： | 福建师范大学化学系，河南省科学院应用物理研究所 |
| |
| 摘 要： | 应用我们自己在分子轨道图形理论基础上建立起来的合重复单元共轭分子本征方程约化定理，研究聚乙炔在掺杂前后能带结构的变化情况，可以很自然地得到Ｐｅｉｅｒｌｓ相变的结果，揭示了聚乙炔掺杂后从绝缘体到金属态变化过程的内在机理。
|
| 关 键 词： | 聚乙炔 Peierls相变 能带结构 |
INVESTIGATION ON THE CONDUCTANCE MACHANISM OF POLYACETYLENE BY QUANTUM CHEMICAL METHOD |
| |
| Zheng Yuanqing.INVESTIGATION ON THE CONDUCTANCE MACHANISM OF POLYACETYLENE BY QUANTUM CHEMICAL METHOD[J].Henan Science,1996,14(3):256-259. |
| |
| Authors: | Zheng Yuanqing |
| |
| Abstract: | The energy band structure of polyacetylene in eigen state and high-level doping state have been investigated by quantum chemical method. As a result, it can uncover the inner machanism in the process to change from an insulator to a metal state for doping polyacetylene. |
| |
| Keywords: | Polyacetylene Peierls phase transition Energy band structure |
| 本文献已被 CNKI 维普 等数据库收录！ |
